N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline

C15H14ClF2N — CID 82819096

IUPACN-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NC(C)c2cccc(Cl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-13(17)15(14(9)18)19-10(2)11-4-3-5-12(16)8-11/h3-8,10,19H,1-2H3
InChIKeyZZNRNOQJUVBACG-UHFFFAOYSA-N
MW281.73 g/mol
LogP5.10
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline

N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline (PubChem CID 82819096) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
PubChem CID82819096
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NC(C)c2cccc(Cl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-13(17)15(14(9)18)19-10(2)11-4-3-5-12(16)8-11/h3-8,10,19H,1-2H3
InChIKeyZZNRNOQJUVBACG-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.73
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
CID 43347591
4-[1-(3-chlorophenyl)ethylamino]-3,5-difluorobenzonitrile
CID 78988350
N-[1-(3-chlorophenyl)ethyl]-2,3-difluoro-6-nitroaniline
CID 63539785
2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
CID 82816580
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
5-chloro-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43094249
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline (CID 82819096) is N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline is Cc1ccc(F)c(NC(C)c2cccc(Cl)c2)c1F.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline?
The InChIKey is ZZNRNOQJUVBACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-6-7-13(17)15(14(9)18)19-10(2)11-4-3-5-12(16)8-11/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline?
N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline has a molecular weight of 281.73 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).